Molecule card · MolClass #47822
24820786
24820786: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24820786Mitochondrial Fusion · compound_name
- MolClass ID
- 47822
- InChIKey
- IDXWGPJZRWLHPP-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)N2N=C(C(O)=CC2(=O))C(=O)OC
- Standard InChI
- InChI=1S/C13H12N2O5/c1-19-9-5-3-8(4-6-9)15-11(17)7-10(16)12(14-15)13(18)20-2/h3-7,16H,1-2H3
- Stored Murcko scaffold
- N1=CC=C[CH]N1c2ccccc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.245 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.881
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24820786